SCHEMBL5217050

SCHEMBL5217050

Nc1nc(I)c2ncn([C@H]3CO[C@@H](COC(=O)c4ccccc4)O3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ LMNA P02545 1/20 0.37
▸ STING1 Q86WV6 2/20 0.37
▸ PNP P00491 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14023348 1.00 HINT1 (0.40) HINT1CYP1A2LMNASTING1PNP
SCHEMBL5217045 1.00 HINT1 (0.40) HINT1CYP1A2LMNASTING1PNP
SCHEMBL14023346 0.92 HINT1 (0.42) HINT1CYP1A2LMNASTING1PNP
SCHEMBL14581405 0.91 HINT1 (0.49) HINT1CYP1A2STING1
SCHEMBL5435997 0.90 NT5E (0.41) HINT1CYP1A2LMNASTING1PNP
SCHEMBL9202661 0.90 NT5E (0.41) HINT1CYP1A2LMNASTING1PNP
SCHEMBL14023347 0.90 NT5E (0.41) HINT1CYP1A2LMNASTING1PNP
SCHEMBL5216986 0.90 NT5E (0.41) HINT1CYP1A2LMNASTING1PNP
SCHEMBL5216981 0.90 NT5E (0.41) HINT1CYP1A2LMNASTING1PNP
SCHEMBL5425043 0.90 NT5E (0.41) HINT1CYP1A2LMNASTING1PNP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265890-B1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2007-04-18 — — EP disclosed
US-6743910-B2 VIRICIDES, ANTICANCER AGENTS BIOCHEM PHARMA, INC. (CA) 2004-06-01 — — US disclosed
US-20030187262-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA INC. (CA) 2003-10-02 — — US disclosed
US-6541625-B2 Stereoselectively hydrolyzing an anomeric mixture of 2-benzoyloxydioxolanecarboxylate with an enzyme; separating product; replacing carboxylate by reaction with a purine or pyrimidinyl derivative BIOCHEM PHARMA, INC. (CA) 2003-04-01 — — US disclosed
US-20020006635-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA, INC. (CA) 2002-01-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030187262-A1 Stereoselective synthesis of nucleoside analogues PNP, CTRC, CPN1 HINT1 620/4885CYP1A2 2879/4885LMNA 346/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback